ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]butanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[(4,6,8-trimethyl-2-quinolinyl)thio]butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4,6,8-trimethyl-2-quinolyl)thio]butanoylamino]benzoic acid ethyl ester Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC3=C(C=C(C=C3C(=C2)C)C)C

InChI

InChI=1S/C25H28N2O3S/c1-6-21(24(28)26-19-10-8-18(9-11-19)25(29)30-7-2)31-22-14-16(4)20-13-15(3)12-17(5)23(20)27-22/h8-14,21H,6-7H2,1-5H3,(H,26,28)